PhotoCam - Photosynthetic Antennas in a Computational Microscope: Training a new generation of computational scientists (HORIZON-MSCA-2022-DN-01-01)
PhotoCam - Photosynthetic Antennas in a Computational Microscope: Training a new generation of computational scientists
Topic HORIZON-MSCA-2022-DN-01-01
Photosynthesis relies on harvesting the sun light and on transforming the solar energy into chemical energy to sustain almost all life on earth. An enhanced molecular-level understanding of photosynthesis and particularly of the light-harvesting process is of key significance: Firstly, a molecular-level understanding of solar light harvesting and how plants and other organisms achieve this is important if we want to figure out the working principles of nature. From this, we can learn design principles of (organic) solar cells. Secondly, controlling the downregulation of photosynthesis is seen as a strategy for the optimization of crop productivity especially by means of novel tools and biotechnological solutions. In the Doctoral Network “Photosynthetic Antennas in a Computational Microscope” we aim at training a new generation of computational scientists which can treat complex and interdisciplinary problems such as light harvesting on a molecular level using theoretical and computational tools. The interdisciplinary nature of the problem requires a combined knowledge from biology, chemistry, physics and computer science in order to combine state-of-the-art approaches like molecular dynamics simulations, quantum chemistry, theoretical spectroscopy and machine learning into multi-scale schemes. This joint undertaking is a unique chance in research but especially also in training young scientists in interdisciplinary teamwork, method training and high-performance computing in academic as well as non-academic settings. Aim of the Doctoral Network is a detailed molecular understanding of light harvesting from the computational point of view and especially of the downregulatory mechanisms of photosynthesis present in higher plants and diatoms. While the undertaking exclusively focuses on theoretical and computational approaches, the calculation of spectroscopic properties for a direct comparison to experimental findings is of key importance.
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Funded by the European Union through Program: Marie Skłodowska-Curie Actions within Horizon Europe (HORIZON) Topic: Doctoral Networks (MSCA-DN) Starting date: January 1, 2024 Duration: 4 years Grant agreement ID: 101119442 Budget: € 2 589 847,20 EU Fact Sheet: https://cordis.europa.eu/project/id/101119442 Duration in months 42 |
1 JACOBS UNIVERSITY BREMEN GGMBH Germany Coordinator 2 PANEPISTIMIO PATRON Greece Partner 3 UNIVERSITA DI PISA Italy Partner 4 RIJKSUNIVERSITEIT GRONINGEN Netherlands Partner 5 VILNIAUS UNIVERSITETAS Lithuania Partner 6 FUNDACIO INSTITUT DE CIENCIES FOTONIQUES Spain Partner 7 UNIVERSITAT LINZ Austria Partner 8 KARLSRUHER INSTITUT FUER TECHNOLOGIE Germany Partner 9 FAccTs GmbH Germany Partner 10 OneAngstrom France Partner 11 UNIVERSITAT POLITECNICA DE CATALUNYA Spain Associated |
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Projects Beneficiaries |
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Associated partners
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Competition Funded Projects
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This research project aims to transfer new developments in fiber-based infrared (IR) spectroscopy from Vilnius University for in situ detection of pancreatic cancer. Using histologically characterized tissue thin sections of human primary tumors, a differentiation from normal tissue will be achieved. The investigations will be transferred to in-situ measurements at the clinic in Dresden and will initially be performed on freshly resected human tissue in the operating room. The project is financed through: Baltic-German University Liaison Office, Z. A. Meierovica bulv. 12, Rīga, LV-1050, Latvia. |
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Researcher groups project of Research Council of Lithuania „Evolution of optical excitations in heterogeneous molecular compounds“, Nr. S-MIP-20-47. 150000 Eur, 2020–2022. Aggregates of molecular pigments are efficient sxcitation energy transporting units, they perform charge separation and in some cases mediate charge transport in photovoltaic and OLED applications. These processes are very complex on microscopic scale, hence, their control and optimization requires quantitative level theoretical understanding. Often the optimal interplay of quantum coherences and dissipation processes is responsible for the functionality, e. g. it has been demonstrated that molecular vibrations actively participate in energy relaxation and charge separation processes in organic solar cells and in pigment-protein complexes in photosynthesis. Even more complex are heterogeneous systems, where the energy separation between different electronic states is larger than the typical phonon energies. Inter-mode couplings, vibrational anharmonicities and nonlinear coupling to electronic states mediate the energy relaxation and conversion processes. Theoretical description of energy relaxation and conversion processes will be developed within the project for the purpose of developing computer simulation approaches for nonlinear optical spectroscopy signals of such systems at various temperatures, what is commonly studied experimentally. For this purpose n-particle quantum approaches together with time dependent variational principle will be used to optimize many-body wavefunction of the quantum system. As a result, the properties of exciton energy migration facilitated by molecular vibrations will be better understood. The proposed research will contribute to general development of theoretical understanding of physical processes on molecular scale what is necessary for developing molecular designs in industry. The proposed activities will contribute to top-level research in the region and widening of experiences of project participants. |
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Baltic -German University Liaison Office project "Fiber ATR FTIR spectroscopy: towards in vivo studies" (Agreement No. 2019/10), supported by the German Academic Exchange Service (DAAD) with funds from the Foreign Office of the Federal Republic Germany, 5000 Eur, project leader V. Šablinskas, 2019. The aim of this project is to develop strategies how fiber-based molecular spectroscopy can be translated into intraoperative application in order to improve the diagnosis and finally the prognosis for the patient. During the project portable fiber optic spectrometer and special algorithms of statistical analysis will be used for obtaining and processing of the spectra.
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Baltic -German University Liaison Office project "Translation of fiber-based molecular spectroscopy to in situ analysis of pancreatic tumor tissue" (Agreement No. 2024/), supported by the German Academic Exchange Service (DAAD) with funds from the Foreign Office of the Federal Republic Germany, 7773,00 Eur, project leader V. Šablinskas, 2024.